Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01492544
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
|---|---|---|---|---|---|
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
NKK![]() | N~2~-(naphthalen-2-ylcarbonyl)- L-lysyl-N-[(1S)-4-carbamimidamido- 1-formylbutyl]-L-lysinamide | B,D | 3E90 | 0.75 | ![]() |
BI6![]() | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.71 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A,B | 1BCS | 0.7 | ![]() |
CST![]() | [[PHENYLALANINE-CARBONYL-AMINO- 2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN- 4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL- GLYCYL]PHENYLALANINE | A | 1SGC | 0.7 | ![]() |
LPF![]() | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.71 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.74 | ![]() |
RUP![]() | (R)-2-(3-ADAMANTAN-1-YL-UREIDO)- 3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL- PROPIONAMIDE | A | 1KYE | 0.72 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | ![]() |
BPO![]() | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.72 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.72 | ![]() |
GCA![]() | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.79 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.75 | ![]() |
MC2![]() | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.73 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.72 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.74 | ![]() |
M1N![]() | (1R)-3-METHYL-1-{[N-(MORPHOLIN- 4-YLCARBONYL)-3-(1-NAPHTHYL)-D- ALANYL]AMINO}BUTYLBORONIC ACID | 2,C,E,G,H,J, L,N,P,R,T,V, X,Z | 2FHH | 0.8 | ![]() |
X23![]() | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(aminomethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B,C,D,E,F, G,H,I,J | 3CM2 | 0.72 | ![]() |
BAU![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1C | 0.72 | ![]() |
BAU![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D | 3EUF | 0.72 | ![]() |
419![]() | N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl- 3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol- 6-yl]-2,2-diphenylacetamide | A,B | 3F7H | 0.75 | ![]() |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.72 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.73 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.73 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | ![]() |
33U![]() | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.73 | ![]() |
IH2![]() | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID(4-CARBAMIMIDOYL- CYCLOHEXYLMETHYL)-AMIDE | 2,3 | 1C4V | 0.73 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1O | 0.72 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1N | 0.72 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.72 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.72 | ![]() |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A | 2P7U | 0.7 | ![]() |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A,C | 2OZ2 | 0.7 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1JLA | 0.73 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT2 | 0.73 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1S1V | 0.73 | ![]() |
TTX![]() | TENTOXIN | B | 1KMH | 0.74 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.7 | ![]() |
876![]() | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4- DIPHOSPHONOPHENYLALANINAMIDE | A | 1O4B | 0.7 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.75 | ![]() |
PPB![]() | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)- PYRROLIDINE-2-CARBONYL]-AMINO}- 2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | A | 1AUJ | 0.72 | ![]() |
23U![]() | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.71 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.73 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.73 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.71 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.71 | ![]() |
Q50![]() | {(1S)-1-BENZYL-4-[3-CARBAMOYL-1- (1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)- (S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL- PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | A,B | 1IZI | 0.7 | ![]() |
Q50![]() | {(1S)-1-BENZYL-4-[3-CARBAMOYL-1- (1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)- (S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL- PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | B | 1IZH | 0.7 | ![]() |
DTF![]() | 4-[(10S,14S,18S)-18-(2-AMINO-2- OXOETHYL)-14-(1-NAPHTHYLMETHYL)- 8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS- 11-EN-10-YL]BENZYLPHOSPHONIC ACID | A | 1X0N | 0.72 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | ![]() |
QIX![]() | N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2- NAPHTHYLMETHYL)-4-OXOBUTANOYL]- L-ARGINYLGLYCYLGLYCINAMIDE | A,B | 3E4A | 0.76 | ![]() |
TTT![]() | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.73 | ![]() |
MKC![]() | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.78 | ![]() |
LP1![]() | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN- 1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]- 3-HYDROXY-6-METHYL-HEPTANOIC ACID [1- (1-CARBAMOYL-2-NAPHTHALEN-1-YL- ETHYLCARBAMOYL)-PROPYL]-AMIDE | A | 4FIV | 0.71 | ![]() |
LP1![]() | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN- 1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]- 3-HYDROXY-6-METHYL-HEPTANOIC ACID [1- (1-CARBAMOYL-2-NAPHTHALEN-1-YL- ETHYLCARBAMOYL)-PROPYL]-AMIDE | A | 1ODY | 0.71 | ![]() |
LP1![]() | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN- 1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]- 3-HYDROXY-6-METHYL-HEPTANOIC ACID [1- (1-CARBAMOYL-2-NAPHTHALEN-1-YL- ETHYLCARBAMOYL)-PROPYL]-AMIDE | A | 2FMB | 0.71 | ![]() |
DP7![]() | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.71 | ![]() |
FRQ![]() | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.71 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.77 | ![]() |
MNO![]() | (3S)-N-METHANESULFONYL-3-({1-[N- (2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)- 4-OXOBUTANAMIDE | A | 1BMQ | 0.71 | ![]() |
357![]() | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]- 6-METHYL-4-(3-METHYLBENZYL)PYRIDIN- 2(1H)-ONE | A | 2BAN | 0.71 | ![]() |
SMK![]() | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.73 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 | ![]() |

























































